| Entry |
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| Name |
Lanatoside C (JAN/INN);
Digilanogen C (TN) |
|---|
| Formula |
C49H76O20
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| Exact mass |
984.4930
|
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| Mol weight |
985.11
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| Structure |
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| Simcomp |
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| Source |
Digitalis lanata [TAX: 49450], Digitalis purpurea [TAX: 4164]
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| Class |
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| Remark |
|
|---|
| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA06 Lanatoside C
D01972 Lanatoside C (JAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D01972 Lanatoside C
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D01972 Lanatoside C (JAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 69
1 C1y C 7.4232 -18.4918
2 C1y C 7.4232 -19.8777
3 C1y C 8.6233 -20.5706
4 O2x O 9.8234 -19.8777
5 C1y C 9.8234 -18.4918
6 C1y C 8.6233 -17.7989
7 O2a O 11.0249 -17.7981
8 C1y C 12.2265 -18.4918
9 C1y C 12.2265 -19.8777
10 C1x C 13.4266 -20.5706
11 C1y C 14.6268 -19.8777
12 O2x O 14.6268 -18.4918
13 C1y C 13.4266 -17.7989
14 O2a O 16.1798 -20.5706
15 C1y C 17.5898 -19.8777
16 C1y C 18.7913 -20.5713
17 O2x O 19.9915 -19.8785
18 C1y C 19.9915 -18.4925
19 C1x C 18.7899 -17.7989
20 C1y C 17.5898 -18.4918
21 O2a O 21.3339 -17.7989
22 C1y C 22.8840 -18.4918
23 C1y C 22.8840 -19.8777
24 C1x C 24.0843 -20.5706
25 C1y C 25.2845 -19.8777
26 O2x O 25.2845 -18.4918
27 C1y C 24.0843 -17.7989
28 O2a O 26.4882 -20.5706
29 C1y C 27.6884 -19.8777
30 O1a O 8.6233 -16.4130
31 O1a O 6.2228 -17.7989
32 O1a O 6.2228 -20.5706
33 C1b C 8.6233 -21.9563
34 O1a O 7.4237 -22.6489
35 O7a O 11.0267 -20.5703
36 C7a C 11.0277 -21.9615
37 C1a C 12.2310 -22.6552
38 O6a O 9.8283 -22.6550
39 C1a C 13.4266 -16.4180
40 O1a O 16.3972 -17.8031
41 C1a C 18.7912 -21.9631
42 O1a O 21.6875 -20.5686
43 C1a C 24.0844 -16.4181
44 C1x C 28.8994 -20.5769
45 C1y C 30.1000 -19.8837
46 C1z C 30.1000 -18.4974
47 C1x C 28.8889 -17.7982
48 C1x C 27.6884 -18.4913
49 C1x C 31.3007 -20.5769
50 C1x C 32.5012 -19.8837
51 C1y C 32.5012 -18.4974
52 C1y C 31.3007 -17.8042
53 C1z C 33.7018 -17.8042
54 C1z C 33.7018 -16.4179
55 C1y C 32.5012 -15.7247
56 C1x C 31.3007 -16.4179
57 C1x C 36.1029 -17.8042
58 C1x C 36.1029 -16.4179
59 C1y C 34.9024 -15.7247
60 C2y C 34.9024 -14.0585
61 C1x C 36.0274 -13.2411
62 O7x O 35.5977 -11.9186
63 C7x C 34.2071 -11.9186
64 C2x C 33.7774 -13.2411
65 O6a O 33.4015 -10.8099
66 C1a C 33.7020 -15.0304
67 O1a O 33.7020 -19.1850
68 O1a O 32.4884 -14.3302
69 C1a C 30.1077 -17.0844
BOND 77
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
8 8 7 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1 #Up
16 15 14 1 #Up
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1 #Down
24 22 21 1 #Down
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 25 28 1 #Up
32 29 28 1 #Up
33 6 30 1 #Up
34 1 31 1 #Down
35 2 32 1 #Up
36 3 33 1 #Down
37 33 34 1
38 9 35 1 #Down
39 35 36 1
40 36 37 1
41 36 38 2
42 13 39 1 #Up
43 20 40 1 #Up
44 16 41 1 #Down
45 23 42 1 #Down
46 27 43 1 #Up
47 29 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 47 48 1
52 29 48 1
53 45 49 1
54 49 50 1
55 50 51 1
56 51 52 1
57 46 52 1
58 51 53 1
59 53 54 1
60 54 55 1
61 55 56 1
62 52 56 1
63 53 57 1
64 57 58 1
65 58 59 1
66 54 59 1
67 59 60 1 #Up
68 60 61 1
69 61 62 1
70 62 63 1
71 63 64 1
72 60 64 2
73 63 65 2
74 54 66 1 #Up
75 53 67 1 #Up
76 55 68 1 #Up
77 46 69 1 #Up
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